Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S4ZLZ1K74B
EPA CompTox DTXSID3022320

Structure

InChI Key MKYQPGPNVYRMHI-UHFFFAOYSA-N
Smiles C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI
InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16
Molecular Weight 256.13
AlogP 5.28
Number of Rotational Bond 3.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 58-72-0
NORMAN SUSDAT
FDA SRS S4ZLZ1K74B
PubChem 6025
ChemSpider 5803.0